ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007591
RECORD_TITLE: METHYL 2-CYCLOHEXYL-2-METHYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-CYCLOHEXYL-2-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCC(C)(C(=O)OC)C(C1)CCCC1
CH$IUPAC: InChI=1S/C13H24O2/c1-4-10-13(2,12(14)15-3)11-8-6-5-7-9-11/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY VCCZXUFUICXVRJ-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f89-4900000000-fc0e9973ff46974a9741
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  31 1.88 19
  55 39.54 395
  59 9.63 96
  67 11.21 112
  69 16.71 167
  81 9.45 95
  83 18.92 189
  97 13.43 134
  101 99.99 999
  109 4.17 42
  111 3.34 33
  130 93.79 938
  131 7.62 76
  153 10.16 102
  154 1.2 12
  169 1.42 14
  170 3.7 37
  212 0.14 1
//